| CAS Number | 947669-86-5 |
| Catalog Number | AG01DNT5(AGN-PC-0WP039) |
| Chemical Name | WWL113 |
| IUPAC Name | ethyl 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoate |
| InChI | InChI=1S/C29H26N2O4/c1-3-34-28(32)25-9-7-22(8-10-25)23-11-13-27(14-12-23)35-29(33)31(2)20-21-5-4-6-26(19-21)24-15-17-30-18-16-24/h4-19H,3,20H2,1-2H3 |
| InChI Key | AKIIPHDGVCFVCC-UHFFFAOYSA-N |
| MDL Number | MFCD28160857 |
| Molecular Formula | C29H26N2O4 |
| Molecular Weight | 466.5277 |
| SMILES | CN(C(OC1=CC=C(C2=CC=C(C(OCC)=O)C=C2)C=C1)=O)CC3=CC(C4=CC=NC=C4)=CC=C3 |
| Synonyms | wwl113,
947669-86-5,
WWL-113,
Ethyl 4'-((methyl(3-(pyridin-4-yl)benzyl)carbamoyl)oxy)-[1,1'-biphenyl]-4-carboxylate,
AOB2409,
SYN5248,
WWL 113,
AKOS025147340,
ZINC139317546,
SB17008,
NCGC00384183-06,
AS-16603,
WWL113, >=98% (HPLC),
SR-02000000418,
SR-02000000418-1,
4'-[[[Methyl[[3-(4-pyridinyl)phenyl]methyl]amino]carbonyl]oxy]-[1,1'-biphenyl]-4-carboxylic acid ethyl ester,
AKIIPHDGVCFVCC-UHFFFAOYSA-N,
C29H26N2O4,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.537g/mol |
| Monoisotopic Mass | 466.189g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number